CID 121208505

2090967-71-6

Structural Information

Molecular Formula
C12H18N4O4
SMILES
CC(C)(C)OC(=O)N1CC(C1)CN2C=C(N=N2)C(=O)O
InChI
InChI=1S/C12H18N4O4/c1-12(2,3)20-11(19)15-4-8(5-15)6-16-7-9(10(17)18)13-14-16/h7-8H,4-6H2,1-3H3,(H,17,18)
InChIKey
WQIBRWQZVJPEHG-UHFFFAOYSA-N
Compound name
1-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1328 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14008 167.2
[M+Na]+ 305.12202 172.2
[M-H]- 281.12552 167.3
[M+NH4]+ 300.16662 172.2
[M+K]+ 321.09596 174.1
[M+H-H2O]+ 265.13006 153.5
[M+HCOO]- 327.13100 180.3
[M+CH3COO]- 341.14665 199.0
[M+Na-2H]- 303.10747 167.1
[M]+ 282.13225 177.3
[M]- 282.13335 177.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.